(3S)-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-3-pyrrolidin-1-ylpyrrolidine-1-carboxamide

C20H30N4O — CID 95168266

IUPAC(3S)-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-3-pyrrolidin-1-ylpyrrolidine-1-carboxamide
SMILESCN1CCCc2cc(CNC(=O)N3CC[C@H](N4CCCC4)C3)ccc21
InChIInChI=1S/C20H30N4O/c1-22-9-4-5-17-13-16(6-7-19(17)22)14-21-20(25)24-12-8-18(15-24)23-10-2-3-11-23/h6-7,13,18H,2-5,8-12,14-15H2,1H3,(H,21,25)/t18-/m0/s1
InChIKeyZLTMNCUXGOVMHJ-SFHVURJKSA-N
MW342.49 g/mol
LogP2.45
Rot. Bonds3

About (3S)-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-3-pyrrolidin-1-ylpyrrolidine-1-carboxamide

(3S)-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-3-pyrrolidin-1-ylpyrrolidine-1-carboxamide (PubChem CID 95168266) has the molecular formula C20H30N4O and a molecular weight of 342.49 g/mol. Its IUPAC name is (3S)-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-3-pyrrolidin-1-ylpyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(3S)-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-3-pyrrolidin-1-ylpyrrolidine-1-carboxamide
PubChem CID95168266
Molecular FormulaC20H30N4O
Molecular Weight342.49 g/mol
Exact Mass342.24
IUPAC Name(3S)-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-3-pyrrolidin-1-ylpyrrolidine-1-carboxamide
SMILESCN1CCCc2cc(CNC(=O)N3CC[C@H](N4CCCC4)C3)ccc21
InChIInChI=1S/C20H30N4O/c1-22-9-4-5-17-13-16(6-7-19(17)22)14-21-20(25)24-12-8-18(15-24)23-10-2-3-11-23/h6-7,13,18H,2-5,8-12,14-15H2,1H3,(H,21,25)/t18-/m0/s1
InChIKeyZLTMNCUXGOVMHJ-SFHVURJKSA-N
XLogP2.45
TPSA38.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.49
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-3-pyrrolidin-1-ylpyrrolidine-1-carboxamide
CID 56800974
N'-methyl-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-3-morpholin-4-ylpyrrolidine-1-carboximidamide;hydroiodide
CID 111728590
(2S)-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-2-phenylmorpholine-4-carboxamide
CID 94722788
N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]propanamide
CID 51099812
4-[[(3-pyrrolidin-1-ylazepane-1-carbonyl)amino]methyl]benzoic acid
CID 122019519
1,1-dimethyl-3-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]urea
CID 110478717
N-benzyl-4-pyrrolidin-1-ylpiperidine-1-carboxamide
CID 71192982
N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-4-[(2-methylpropanoylamino)methyl]cyclohexane-1-carboxamide
CID 46966514
N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
CID 62096160
3-(2,5-dioxopyrrolidin-1-yl)-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]propanamide
CID 51099820
4-ethoxy-N'-methyl-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]piperidine-1-carboximidamide
CID 111960271
N-[(2-methoxy-4-pyridinyl)methyl]-3-pyrrolidin-1-ylpiperidine-1-carboxamide
CID 47048297

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-3-pyrrolidin-1-ylpyrrolidine-1-carboxamide?
The IUPAC name of (3S)-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-3-pyrrolidin-1-ylpyrrolidine-1-carboxamide (CID 95168266) is (3S)-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-3-pyrrolidin-1-ylpyrrolidine-1-carboxamide.
What is the SMILES notation for (3S)-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-3-pyrrolidin-1-ylpyrrolidine-1-carboxamide?
The canonical SMILES for (3S)-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-3-pyrrolidin-1-ylpyrrolidine-1-carboxamide is CN1CCCc2cc(CNC(=O)N3CC[C@H](N4CCCC4)C3)ccc21.
What is the InChIKey of (3S)-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-3-pyrrolidin-1-ylpyrrolidine-1-carboxamide?
The InChIKey is ZLTMNCUXGOVMHJ-SFHVURJKSA-N. The full InChI is InChI=1S/C20H30N4O/c1-22-9-4-5-17-13-16(6-7-19(17)22)14-21-20(25)24-12-8-18(15-24)23-10-2-3-11-23/h6-7,13,18H,2-5,8-12,14-15H2,1H3,(H,21,25)/t18-/m0/s1.
What are the key properties of (3S)-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-3-pyrrolidin-1-ylpyrrolidine-1-carboxamide?
(3S)-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-3-pyrrolidin-1-ylpyrrolidine-1-carboxamide has a molecular weight of 342.49 g/mol, XLogP of 2.45, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-3-pyrrolidin-1-ylpyrrolidine-1-carboxamide is sourced from PubChem (CID 95168266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).